CID 497624

Schembl9561700

Structural Information

Molecular Formula
C24H33NO
SMILES
C1CC2(CCCN2C1)C(C3C4CC5CC(C4)CC3C5)(C6=CC=CC=C6)O
InChI
InChI=1S/C24H33NO/c26-24(21-6-2-1-3-7-21,23-8-4-10-25(23)11-5-9-23)22-19-13-17-12-18(15-19)16-20(22)14-17/h1-3,6-7,17-20,22,26H,4-5,8-16H2
InChIKey
JAVIYPCEHQTBLJ-UHFFFAOYSA-N
Compound name
2-adamantyl-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)-phenylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

351.25623 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.26351 177.9
[M+Na]+ 374.24545 176.3
[M-H]- 350.24895 176.2
[M+NH4]+ 369.29005 198.9
[M+K]+ 390.21939 169.5
[M+H-H2O]+ 334.25349 168.7
[M+HCOO]- 396.25443 177.2
[M+CH3COO]- 410.27008 182.7
[M+Na-2H]- 372.23090 180.3
[M]+ 351.25568 172.2
[M]- 351.25678 172.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe